(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(2-hydroxyethyl)cyclohex-2-en-1-ol

C14H28O3Si — CID 11119239

IUPAC(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(2-hydroxyethyl)cyclohex-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C=C[C@](O)(CCO)CC1
InChIInChI=1S/C14H28O3Si/c1-13(2,3)18(4,5)17-12-6-8-14(16,9-7-12)10-11-15/h6,8,12,15-16H,7,9-11H2,1-5H3/t12-,14+/m0/s1
InChIKeyIUMANGFPHJRXAF-GXTWGEPZSA-N
MW272.46 g/mol
LogP2.84
Rot. Bonds4

About (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(2-hydroxyethyl)cyclohex-2-en-1-ol

(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(2-hydroxyethyl)cyclohex-2-en-1-ol (PubChem CID 11119239) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(2-hydroxyethyl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(2-hydroxyethyl)cyclohex-2-en-1-ol
PubChem CID11119239
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Name(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(2-hydroxyethyl)cyclohex-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C=C[C@](O)(CCO)CC1
InChIInChI=1S/C14H28O3Si/c1-13(2,3)18(4,5)17-12-6-8-14(16,9-7-12)10-11-15/h6,8,12,15-16H,7,9-11H2,1-5H3/t12-,14+/m0/s1
InChIKeyIUMANGFPHJRXAF-GXTWGEPZSA-N
XLogP2.84
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(2-hydroxyethyl)cyclohex-2-en-1-ol?
The IUPAC name of (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(2-hydroxyethyl)cyclohex-2-en-1-ol (CID 11119239) is (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(2-hydroxyethyl)cyclohex-2-en-1-ol.
What is the SMILES notation for (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(2-hydroxyethyl)cyclohex-2-en-1-ol?
The canonical SMILES for (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(2-hydroxyethyl)cyclohex-2-en-1-ol is CC(C)(C)[Si](C)(C)O[C@H]1C=C[C@](O)(CCO)CC1.
What is the InChIKey of (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(2-hydroxyethyl)cyclohex-2-en-1-ol?
The InChIKey is IUMANGFPHJRXAF-GXTWGEPZSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-13(2,3)18(4,5)17-12-6-8-14(16,9-7-12)10-11-15/h6,8,12,15-16H,7,9-11H2,1-5H3/t12-,14+/m0/s1.
What are the key properties of (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(2-hydroxyethyl)cyclohex-2-en-1-ol?
(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(2-hydroxyethyl)cyclohex-2-en-1-ol has a molecular weight of 272.46 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(2-hydroxyethyl)cyclohex-2-en-1-ol is sourced from PubChem (CID 11119239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).